6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile

C9H10N2OS — CID 115766589

IUPAC6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESCC(CO)Sc1cccc(C#N)n1
InChIInChI=1S/C9H10N2OS/c1-7(6-12)13-9-4-2-3-8(5-10)11-9/h2-4,7,12H,6H2,1H3
InChIKeyCSNLMYRZAPRXGV-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.43
Rot. Bonds3

About 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile

6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile (PubChem CID 115766589) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile
PubChem CID115766589
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESCC(CO)Sc1cccc(C#N)n1
InChIInChI=1S/C9H10N2OS/c1-7(6-12)13-9-4-2-3-8(5-10)11-9/h2-4,7,12H,6H2,1H3
InChIKeyCSNLMYRZAPRXGV-UHFFFAOYSA-N
XLogP1.43
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetic acid
CID 1580211
2-[(2-Cyanoethyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 600890
[(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid
CID 685864
2-((3-Cyano-6-methylpyridin-2-yl)thio)acetamide
CID 765315
2-Picoline, 6-(ethylthio)-
CID 577760
2-Methyl-6-(methylthio)pyridine
CID 587005
6-(Methylthio)picolinonitrile
CID 22939445
2-{[6-Methyl-4-(trifluoromethyl)-2-pyridyl]thio}ethan-1-ol
CID 2779726
4,6-Dimethyl-2-(2-methylprop-2-enylthio)pyridine-3-carbonitrile
CID 975322
2-(3-Butylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 4440325
Cambridge id 5633642
CID 5164638
6-Methyl-2-(methylsulfanyl)nicotinonitrile
CID 819715

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile (CID 115766589) is 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile is CC(CO)Sc1cccc(C#N)n1.
What is the InChIKey of 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile?
The InChIKey is CSNLMYRZAPRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7(6-12)13-9-4-2-3-8(5-10)11-9/h2-4,7,12H,6H2,1H3.
What are the key properties of 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile?
6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropan-2-ylsulfanyl)pyridine-2-carbonitrile is sourced from PubChem (CID 115766589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).